Benzenesulfonic acid, 4-chloro-3-nitro-

HCID 67132
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Basic information

CAS
121-18-6
Standard SMILES
O=[N+]([O-])c1cc(S(=O)(=O)O)ccc1Cl
InChIKey
RPKWNMFDAOACCX-UHFFFAOYSA-N
Molecular formula
C6H4ClNO5S
Average molar mass
237.62 g/mol
Monoisotopic mass
236.94987091

Names & identifiers

Preferred name
Benzenesulfonic acid, 4-chloro-3-nitro-
IUPAC
4-chloro-3-nitrobenzenesulfonic acid
English name
4-Chloro-3-nitrobenzenesulfonic acid
Molecular formula
C6H4ClNO5S
Molecular weight
237.62

Names & synonyms

4-Chloro-3-nitrobenzenesulfonic acid121-18-6Benzenesulfonic acid, 4-chloro-3-nitro-o-Nitrochlorobenzene-p-sulfonic acid2-Nitrochlorobenzene-4-sulfonic acidNSC 7827EINECS 204-452-1DTXSID7059519RefChem:118001DTXCID6033665Benzenesulfonic acid,4-chloro-3-nitro-MFCD00274152
Show more names
o-Nitrochlorobenzene-4-sulfonicacidm-Nitro-p-chlorobenzenesulfonicacid4-chloro-3-nitro-benzenesulfonicaci4-Chloro-5-nitrobenzenesulfonic acidBenzenesulfonicacid,4-chloro-3-nitro-2-NITRO-1-CHLOROBENZENE-4-SULFONIC ACID
4-chloro-3-nitro-benzenesulfonic acid4-chloro-3-nitrobenzene-1-sulfonic acidNSC-78273-Nitro-4-chlorobenzenesulfonic acid4-Chloro-3-nitrobenzenesulphonic acid4-CHLORO-3-NITROBENZENESULFONICACIDSCHEMBL3329718B8TXV456R

Database identifiers

CAS
121-18-6
PubChem CID
67132
DTXSID
DTXSID7059519
UNII
8B8TXV456R
EC Number
163-701-1、204-452-1
Nikkaji
J1.849.534A、J30.528F

Properties

Computed structural properties

XLogP
1
Topological polar surface area
109 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Melting point
114 · 114-115 °C
Density
1.747 · 1.747±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
-1.44 · -1.44±0.50(Predicted)
CAS DataBase Reference
121 · 121-18-6(CAS DataBase Reference)
FDA UNII
8 B8TXV456R · 8B8TXV456R

Safety & regulation

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenesulfonic acid, 4-chloro-3-nitro-: INACTIVE

Applications

Uses4-Chloro-3-nitrobenzenesulfonic acid can be used as dye intermediate.

Upstream & downstream products

Suppliers63 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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